SCHEMBL6640564

SCHEMBL6640564

COc1cc(NC(=O)CC2CCCC(NC(=O)c3c(C)noc3-c3c(F)cccc3Cl)C2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PTGS2 P35354 1/20 0.46
CXCR6 O00574 13/20 0.42
CXCR4 P61073 1/20 0.42
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6669624 0.90 PTGS2 (0.59) POLBPTGS2MAPTKDM4ELMNA
SCHEMBL6669630 0.90 PTGS2 (0.59) POLBPTGS2MAPTKDM4ELMNA
SCHEMBL6644347 0.86 PTGS2 (0.61) POLBPTGS2MAPTKDM4ELMNA
SCHEMBL6639409 0.86 PTGS2 (0.61) POLBPTGS2MAPTKDM4ELMNA
SCHEMBL6642320 0.82 MAPT (0.43) POLBMAPT
SCHEMBL6639081 0.82 POLB (0.46) POLBPTGS2MAPTKDM4ELMNA
SCHEMBL6801757 0.77 MAPT (0.45) POLBMAPTKDM4E
SCHEMBL6644456 0.77 ACACB (0.40) POLBMAPTLMNA
SCHEMBL6638957 0.75 KMT2A (0.42) POLBKDM4ELMNA
SCHEMBL6774056 0.75 KMT2A (0.42) POLBKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 POLB 2053/4885PTGS2 822/4885CXCR6 2250/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 POLB 2045/4885PTGS2 877/4885CXCR6 2279/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.